Advertisement

On Green’s Function Methods for the Study of Ionic States in Atoms and Molecules

  • W. von Niessen
  • L. S. Cederbaum
  • W. Domcke
Chapter
Part of the NATO Advanced Study Institutes Series book series (ASIC, volume 46)

Abstract

Photoelectron spectroscopy is concerned with the study of ionic states in atoms, molecules and solids. It has developed to become a very useful tool for the understanding of the electronic structure of the system. Actually it is not just a single type of spectroscopy but represents rather a spectrum of spectroscopies. The incident radiation may be varied both in type and energy. The most frequent excitation sources are UV radiation (HeI line at 21.21eV, HeII line at 40.8eV, X-rays of various energies and nowadays also synchroton radiation as well as electrons ((e,2e)-spectroscopy) or excited atoms (Penning ionization). The electrons and/or ions formed in the process can be spectro-scopically examined. There also exists the possibility of coincidence measurements which may supply additional data. The photoelectron spectrum (PES) contains a lot of information. There are the different electronic states, each ionization process giving rise to a band. These bands show vibrational and rotational structure in the case of molecules.

Keywords

Ionic State Vibrational Structure Dyson Equation Satellite Line Pole Strength 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
This is a preview of subscription content, log in to check access.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.)
    T. Koopmans, Physica 1, 104 (1933)CrossRefGoogle Scholar
  2. 2.)
    P.S. Bagus, Phys. Rev. A 139, 619 (1965)CrossRefGoogle Scholar
  3. 2.)a
    P.S. Bagus and H.F. Schaefer, J. Chem. Phys. 55, 1474 (1971)CrossRefGoogle Scholar
  4. 2.)b
    P.S. Bagus and H.F. Schaefer, J. Chem. Phys. 56, 224 (1972)Google Scholar
  5. 3.) a)
    P.E. Cade, K.D. Sales and A.C. Wahl, J. Chem. Phys. 44, 1973 (1966)CrossRefGoogle Scholar
  6. 3.) a)a
    P.E. Cade, K.D. Sales and A.C. Wahl, At.Data 13, 339 (1974)CrossRefGoogle Scholar
  7. 3.) b)
    A.E. Smolyar, A.I. Boldyrev, O.P. Charkin, N.M. Klimenko and V.I. Avdeev, J. Struct. Chem. 17, 188 (1976)CrossRefGoogle Scholar
  8. 3.) c)
    M.F. Guest and V.R. Saunders, Mol. Phys. 29, 873 (1975)CrossRefGoogle Scholar
  9. 4.)
    L.S. Cederbaum, G. Hohlneicher and W. von Niessen, Chem. Phys. Lett. 18, 503 (1973); L.S. Cederbaum and W. von Niessen, J. Chem. Phys. 62, 3824 (1975)Google Scholar
  10. 5.)
    W. von Niessen, G.H.F. Diercksen and L.S. Cederbaum, J. Chem. Phys. 67, 4124 (1977)CrossRefGoogle Scholar
  11. 6.)
    T.T. Chen, W.D. Smith and J. Simons, Chem. Phys. Lett. 26, 296 (1974) (for corrections see ref.9)CrossRefGoogle Scholar
  12. 7.)
    G.D. Purvis and Y. Öhrn, J. Chem. Phys. 60, 4063 (1974)CrossRefGoogle Scholar
  13. 7.)a
    H. Kurtz, G.D. Purvis and Y. Öhrn, Int. J. Quantum Chem. Symp. 10, 331 (1977)Google Scholar
  14. 8.)
    D.P. Chong, F.G. Herring and D. McWilliams, J. Chem. Phys. 61, 3567 (1974)CrossRefGoogle Scholar
  15. 9.)
    M.F. Herman, D.L. Yeager, K.F. Freed and V. McKoy, Chem. Phys. Lett. 46, 1 (1977)CrossRefGoogle Scholar
  16. 10.)
    Modern Theoretical Chemistry, edited by H.F. Schaefer (Plenum, New York, 1977) Vol.’s 3 and 4Google Scholar
  17. 11.)
    G. Csanak, H.S. Taylor and R. Yaris, Adv. At. Mol. Phys. 7, 287 (1971)CrossRefGoogle Scholar
  18. 12.)
    L.S. Cederbaum and W. Domcke, Adv. Chem. Phys. 36, 205 (1977)CrossRefGoogle Scholar
  19. 13.)
    A.C. Wahl and G. Das, Adv. Quantum Chem. 5, 261 (1970)CrossRefGoogle Scholar
  20. 13.)a
    F. Grein and T.C. Chang, Chem. Phys. Lett. 12, 44 (1971)Google Scholar
  21. 13.)b
    F. Grein and T.C. Chang J. Chem. Phys. 57, 5270 (1972)CrossRefGoogle Scholar
  22. 13.)c
    J. Hinze, J. Chem. Phys. 59, 6424 (1973)CrossRefGoogle Scholar
  23. 13.)d
    H. Basch, J. Chem. Phys. 55, 1700 (1971), Chem. Phys. Lett. 19, 323 (1973)Google Scholar
  24. 14.)
    F.P. Billingsley, J. Chem. Phys. 62, 864 (1975)CrossRefGoogle Scholar
  25. 14.)a
    F.P. Billingsley, J. Chem. Phys. 63 2267 (1975)CrossRefGoogle Scholar
  26. 14.)b
    M. Hackmeyer, Int. J. Quantum Chem. 8, 783 (1974)CrossRefGoogle Scholar
  27. 15.) a)
    W. Meyer, Int. J. Quantum Chem. Symp. 5, 341 (1971)CrossRefGoogle Scholar
  28. 15.) b)
    W. Meyer, J. Chem. Phys. 58, 1017 (1973)CrossRefGoogle Scholar
  29. 15.) c)
    R. Ahlrichs, H. Lischka, V. Staemmler and W. Kutzlnigg, J. Chem. Phys. 62, 1235 (1975)CrossRefGoogle Scholar
  30. 16.)
    W.J. Hunt, P.J. Hay and W.A. Goddard, J. Chem. Phys. 57, 738 (1972)CrossRefGoogle Scholar
  31. 16.)a
    W.A. Goddard and R.C. Ladner, J. Am. Chem. Soc. 93, 6750 (1971)Google Scholar
  32. 17.)
    D.P. Chong, F.G. Herring and D. McWilliams, J. Chem. Phys. 61, 78 (1974)CrossRefGoogle Scholar
  33. 18.)
    D.W. Smith and O.W. Day, J. Chem. Phys. 62, 113 (1975)CrossRefGoogle Scholar
  34. 18.)a
    O.W. Day, D.W. Smith and R.C. Morrison, J. Chem. Phys. 62, 115 (1975)CrossRefGoogle Scholar
  35. 18.)b
    M.M. Morell, R.G. Parr and M. Levy, J. Chem. Phys. 62, 549 (1975)CrossRefGoogle Scholar
  36. 19.)
    I. Hubač, V. Kvasnička and A. Holubec, Chem. Phvs. Lett. 23, 381 (1973)CrossRefGoogle Scholar
  37. 20.)
    J. Simons and W.D. Smith, J. Chem. Phys. 58, 4899 (1973)CrossRefGoogle Scholar
  38. 20.)a
    J. Simons, Chem. Phys. Lett. 25, 122 (1974)CrossRefGoogle Scholar
  39. 21.)
    B.T. Pickup and O. Goscinski, Mol. Phys. 26, 1013 (1973)CrossRefGoogle Scholar
  40. 22.)
    G. Hohlneicher, F. Ecker and L.S. Cederbaum, Electron Spectroscopy, edited by D.H. Shirley (North-Holland, Amsterdam, 1972), p. 647Google Scholar
  41. 23.)
    F. Ecker and G. Hohlneicher, Theor. Chim. Acta 25, 289 (1972)CrossRefGoogle Scholar
  42. 24.)
    J.D. Doll and W.P. Reinhardt, J. Chem. Phys. 57, 1169 (1972)CrossRefGoogle Scholar
  43. 25.)
    B. Schneider and H.S. Taylor, Phys. Rev. A1, 855 (1970)Google Scholar
  44. 26.)
    B.S. Yarlagadda, G. Csanak, H.S. Taylor, B. Schneider and R. Yaris, Phys. Rev. A7, 146 (1973)Google Scholar
  45. 27.)
    L.S. Cederbaum, Theor. Chim. Acta 31, 239 (1973)CrossRefGoogle Scholar
  46. 27.)a
    L.S. Cederbaum, J. Phys. B8, 290 (1975)Google Scholar
  47. 28.)
    L.S. Cederbaum, J. Chem. Phys. 62, 2160 (1975); J. Schirmer and L.S. Cederbaum, J. Phys. B, in pressCrossRefGoogle Scholar
  48. 29.)
    L.S. Cederbaum and W. Domcke, J. Chem. Phys. 60, 2878 (1974)CrossRefGoogle Scholar
  49. 29.)a
    L.S. Cederbaum and W. Domcke, J. Chem. Phys. 64, 603, 612 (1976)Google Scholar
  50. 30.)
    A.L. Fetter and J.D. Walecka, Quantum Theory of Many-Particle Systems, McGraw-Hill, New York (1971)Google Scholar
  51. 31.)
    G.H.F. Diercksen and W.P. Kraemer, MUNICH, Molecular Program System Reference Manual, Special Technical Report, Max-Planck-Institut für Physik und Astrophysik (to be published); G.H.F. Diercksen, Theor. Chim. Acta 33, 1 (1974)CrossRefGoogle Scholar
  52. 32.)
    W. von Niessen, L.S. Cederbaum, W. Domcke and G.H.F. Diercksen, J. Chem. Phys. 66, 4893 (1977)CrossRefGoogle Scholar
  53. 33.)
    L.S. Cederbaum, W. Domcke, W. von Niessen and W.P. Kraemer, Mol. Phys. 34, 381 (1977)CrossRefGoogle Scholar
  54. 34.)
    C. Salez and A. Veillard, Theor. Chim. Acta 11, 441 (1968)CrossRefGoogle Scholar
  55. 35.)
    D.W. Turner, C. Baker, A.D. Baker and CR. Brundle, Molecular Photoelectron Spectroscopy (Wiley-Inter-science, New York, 1970)Google Scholar
  56. 36.)
    W. Ermler and A.C. Wahl, unpublished results cited in ref.9Google Scholar
  57. 37.)
    D.P. Chong, F.G. Herring and D. McWilliams, J. Chem. Phys. 61, 958 (1974)CrossRefGoogle Scholar
  58. 38.)
    I. Hubač and M. Urban, Theor. Chim. Acta 45, 185 (1977)Google Scholar
  59. 39.)
    A.D. McLean and M. Yoshimine, IBM J. Res. Develop. Suppl. (1967)Google Scholar
  60. 40.)
    L.S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. 10, 459 (1975)CrossRefGoogle Scholar
  61. 41.)
    G. Bieri, E. Heilbronner, J.-P. Stadelmann, J. Vogt and W. von Niessen, J. Am. Chem. Soc. 99, 6832 (1977)CrossRefGoogle Scholar
  62. 42.)
    L.S. Cederbaum, Chem. Phys. Lett. 25, 562 (1974)CrossRefGoogle Scholar
  63. 43.)
    D.P. Chong, F.G. Herring and D. McWilliams, J. Electron. Spectroscopy 7, 445 (1975)CrossRefGoogle Scholar
  64. 44.)
    W. von Niessen, W. Domcke, L.S. Cederbaum and W.P. Kraemer, J. Chem. Phys. 67, 44 (1977)CrossRefGoogle Scholar
  65. 45.)
    R. Gleiter, E. Heilbronner and V. Hornung, Helv. Chim. Acta 55, 255 (1972)CrossRefGoogle Scholar
  66. 46.)
    C. Fridh, L. Asbrink, B.-Ö. Jonsson and E. Lindholm, Int. J. Mass. Spectrom. Ion. Phys. 9, 485 (1972)CrossRefGoogle Scholar
  67. 47.)
    S. Huzinaga, J. Chem. Phys. 42, 1293 (1965)CrossRefGoogle Scholar
  68. 48.)
    J. Almlöf, B. Roos, U. Wahlgren and J. Johansen, J. Electron. Spectrosc. 2, 51 (1973)CrossRefGoogle Scholar
  69. 49.)
    W. von Niessen, G.H.F. Diercksen and L.S. Cederbaum, Chem. Phys. Letters 45, 295 (1977)CrossRefGoogle Scholar
  70. 50.)
    W. von Niessen, unpublished resultsGoogle Scholar
  71. 51.)
    W. von Niessen, L.S. Cederbaum and W.P. Kraemer, J. Chem. Phys. 65, 1378 (1976)CrossRefGoogle Scholar
  72. 52.)
    U. Gelius, J. Electron. Spectrosc. 5, 985 (1974)CrossRefGoogle Scholar
  73. 53.)
    B.-Ö. Jonsson and E. Lindholm, Ark. Fys. 39, 65 (1969)Google Scholar
  74. 54.)
    J. Itah, B. Katz and B. Scharf, Chem. Phvs. Lett. 52, 92 (1977)CrossRefGoogle Scholar
  75. 55.)
    L.S. Cederbaum, W. Domcke and W. von Niessen, J. Phys. B10, 2963 (1977)Google Scholar
  76. 56.)
    L.S. Cederbaum, W. Domcke and W. von Niessen, Mol. Phys. 33, 1399 (1977)CrossRefGoogle Scholar
  77. 57.)
    A. Veillard, Theor. Chim. Acta 12, 405 (1968)CrossRefGoogle Scholar
  78. 58.)
    D. Feldmann, Z. Naturforschung 25a, 621 (1970)Google Scholar
  79. 59.)
    J.D. Carette and L. Kerwin, Canad. J. Phys. 39, 1300 (1961)CrossRefGoogle Scholar
  80. 60.)
    S.L. Bennell, J.L. Margrave and J.L. Franklin, J. Chem. Phys. 61, 1647 (1974)CrossRefGoogle Scholar
  81. 61.)
    R.H. Wood and L.A. D’Orazio, J. Phys. Chem. 69, 2562 (1965)CrossRefGoogle Scholar
  82. 61.)a
    J. Berkowitz, W.A. Chupka and D. Gutman, J. Chem. Phys. 55, 2733 (1971)CrossRefGoogle Scholar
  83. 61.)b
    R. Byerly and E.C. Beatly, J. Geophys. Res. 76, 4596 (1971)CrossRefGoogle Scholar
  84. 61.)c
    S.F. Wong, T.V. Vorburger and S.B. Woo, Phys. Rev. A5, 2598 (1972)Google Scholar
  85. 61.)d
    G. Sinnott and E.G. Beaty, Electronic and Atomic collisions (North Holland), 1971Google Scholar
  86. 62.)
    R.J. Celotta, R.A. Bennett and J.L. Hall, J. Chem. Phys. 60, 1740 (1974)CrossRefGoogle Scholar
  87. 63.)
    S.-K. Shih, W. Butscher, R.J. Buenker and S.D. Peyerimhoff, Chem. Phys. 29, 241 (1978)CrossRefGoogle Scholar
  88. 64.)
    W. Benesch, J.T. Vanderslice, S.G. Tilford and P.G. Wilkonson, Astrophys. J. 143, 236 (1966)CrossRefGoogle Scholar
  89. 65.)
    R.W. Nicholls, J. Quant. Spectr. Radiat. Transfer 2, 433 (1962)CrossRefGoogle Scholar
  90. 66.)
    W. Domcke, L.S. Cederbaum, H. Koppel and W. von Niessen, Mol. Phys. 34, 1759 (1977)CrossRefGoogle Scholar
  91. 67.)
    W.L. Smith and P.A. Warsop, Trans. Faraday Soc. 64, 1265 (1968)CrossRefGoogle Scholar
  92. 68.)
    R. Botter and H.M. Rosenstock, Adv. Mass. Spectrometr. 4, 579 (1968). The calculated FC factors are compared with the PES in: H.J. Weiss and G.M. Lawrence, J. Chem. Phys. 53, 214 (1970)Google Scholar
  93. 69.)
    W.R. Harshberger, J. Chem. Phys. 53, 903 (1970)CrossRefGoogle Scholar
  94. 69.)a
    W.R. Harshberger, J. Chem. Phys. 56, 177 (1972)CrossRefGoogle Scholar
  95. 69.)b
    S. Durmaz, J.N. Murrell, J.M. Taylor and R. Suffolk, Molec.Phys. 19, 533 (1970)CrossRefGoogle Scholar
  96. 70.)
    J.W. Rabalais, L. Karlsson, L.O. Werme, T. Bergmark and K. Siegbahn, J. Chem. Phys. 58, 3370 (1973)CrossRefGoogle Scholar
  97. 71.)
    A.D. Baker, C.R. Brundle and D.W. Turner, Int. J. Mass. Spectr. Ion Phys. 1, 285 (1968)CrossRefGoogle Scholar
  98. 72.)
    C.R. Brundle, M.B. Robin, N.A. Kuebler and H. Basch, J. Am. Chem. Soc. 94, 1451 (1972)CrossRefGoogle Scholar
  99. 73.)
    I.P. Batra and O. Robaux, Chem. Phys. Lett. 28, 529 (1974)CrossRefGoogle Scholar
  100. 74.)
    L.S. Cederbaum, G. Hohlneicher and S. Peyerimhoff, Chem. Phys. Lett. 11, 421 (1971)CrossRefGoogle Scholar
  101. 74.)a
    L.S. Cederbaum, G. Hohlneicher and W. von Niessen, Molec. Phys. 26, 1405 (1973)Google Scholar
  102. 75.)
    D.P. Chong, F.G. Herring and D. McWilliams, J. Chem. Phys. 61, 958 (1974)CrossRefGoogle Scholar
  103. 76.)
    L.S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. Lett. 34, 60 (1975)CrossRefGoogle Scholar
  104. 77.)
    T. Shimanouchi and I. Suzuki, J. Chem. Phys. 42, 296 (1965)CrossRefGoogle Scholar
  105. 78.)
    H.A. Jahn and E. Teller, Proc. Roy. Soc. (London), A 161, 220 (1977)Google Scholar
  106. 79.)
    L.S. Cederbaum, W. Domcke, H. Köppel and W. von Niessen, Molec. Phys., in pressGoogle Scholar
  107. 80.)
    L.S. Cederbaum, W. Domcke, H. Köppel and W. von Niessen, Chem. Phys. 26, 169 (1977)CrossRefGoogle Scholar
  108. 81.)
    F. Brogli, E. Heilbronner, E. Kloster-Jensen, A. Schmelzer, A.S. Manocha, J.A. Pople and L. Radom, Chem. Phys. 4, 107 (1974)CrossRefGoogle Scholar
  109. 82.)
    W. von Niessen, G.H.F. Diercksen, L.S. Cederbaum and W. Domcke, Chem. Phys. 18, 469 (1976)CrossRefGoogle Scholar
  110. 83.)
    F.A. Miller and I. Matsubara, Spectrochim. Acta 22, 173 (1966)CrossRefGoogle Scholar
  111. 84.)
    J. Schirmer, W. Domcke, L.S. Cederbaum and W. von Niessen, J. Phys. B in pressGoogle Scholar
  112. 85.)
    N. Jonathan, A. Morris, M. Okuda, D.J. Smith and K.J. Ross, Chem. Phys. Letters, 13, 334 (1972)CrossRefGoogle Scholar
  113. 86.)
    J. Schirmer, L.S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. 26, 149 (1977)CrossRefGoogle Scholar
  114. 87.)
    U. Gelius, E. Basilier, S. Svensson, T. Bergmark and K. Siegbahn, J. Electron. Spectrosc. 2, 405 (1974)Google Scholar
  115. 88.)
    R. Nilsson, R. Nyholm, A. Berndtsson, J. Hedman and C. Nordling, J. Electron. Spectrosc. 9, 337 (1976)CrossRefGoogle Scholar
  116. 89.)
    P.S. Bagus and E.K. Viinikka, Phys. Rev. A15, 1486 (1977)Google Scholar
  117. 90.)
    J. Schirmer, L.S. Cederbaum, W. Domcke and W. von Niessen, to be publishedGoogle Scholar
  118. 91.)
    A.W. Potts, T.A. Williams and W.C. Price, Faraday Disc. 54, 104 (1972)CrossRefGoogle Scholar
  119. 92.)
    W. von Niessen, W. Domcke, L.S. Cederbaum and J. Schirmer, to be publishedGoogle Scholar
  120. 93.)
    T.H. Gan, J.B. Peel and G.D. Willett, J. Chem. Soc. Faraday Trans. II 73, 1459 (1977)Google Scholar
  121. 94.)
    G. Wendin and M. Ohno, Phys. Scripta, 14, 148 (1976)CrossRefGoogle Scholar
  122. 95.)
    W. von Niessen, unpublished resultsGoogle Scholar
  123. 96.)
    S. Pignataro and G. Distenfano, J. Electron. Spectrosc. 2, 171 (1973)CrossRefGoogle Scholar
  124. 96.)a
    S. Tsuchiya and M. Senō, Chem. Phys. Lett. 54, 132 (1978)CrossRefGoogle Scholar

Copyright information

© D. Reidel Publishing Company, Dordrecht, Holland 1978

Authors and Affiliations

  • W. von Niessen
    • 1
  • L. S. Cederbaum
    • 2
  • W. Domcke
    • 2
  1. 1.Theoretische Chemie, Institut für Physikalische ChemieTechnische Universität BraunschweigD-33 BraunschweigW.-Germany
  2. 2.Fakultät für PhysikUniversität FreiburgD-78 FreiburgW.-Germany

Personalised recommendations

Cite chapter

Buy options